U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H34N10O20P4
Molecular Weight 894.4661
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of m2-7,3’-OGppp(m1-2’-O)Ap mRNA CAP

SMILES

CO[C@@H]1[C@@H](COP(O)(=O)OP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OC)[C@@H]2OP(O)(O)=O)N3C=NC4=C3N=CN=C4N)O[C@H]([C@@H]1O)N5C=[N+](C)C6=C5N=C(N)NC6=O

InChI

InChIKey=OSGNANJQOHIBRB-LAMCKDNKSA-N
InChI=1S/C23H34N10O20P4/c1-31-8-33(19-12(31)20(35)30-23(25)29-19)21-13(34)14(45-2)9(49-21)4-47-55(39,40)52-57(43,44)53-56(41,42)48-5-10-15(51-54(36,37)38)16(46-3)22(50-10)32-7-28-11-17(24)26-6-27-18(11)32/h6-10,13-16,21-22,34H,4-5H2,1-3H3,(H9-,24,25,26,27,29,30,35,36,37,38,39,40,41,42,43,44)/t9-,10-,13-,14-,15-,16-,21-,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H34N10O20P4
Molecular Weight 894.4661
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:56:01 UTC 2023
Edited
by admin
on Sat Dec 16 17:56:01 UTC 2023
Record UNII
VNP8CZY34V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
m2-7,3’-OGppp(m1-2’-O)Ap mRNA CAP
Common Name English
MRNA CAP M7G+M3'-5'-PPP-5'-AM2'-3'-P-
Common Name English
Code System Code Type Description
PUBCHEM
155884733
Created by admin on Sat Dec 16 17:56:01 UTC 2023 , Edited by admin on Sat Dec 16 17:56:01 UTC 2023
PRIMARY
FDA UNII
VNP8CZY34V
Created by admin on Sat Dec 16 17:56:01 UTC 2023 , Edited by admin on Sat Dec 16 17:56:01 UTC 2023
PRIMARY